N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide

C29H29F4N3O5 — CID 166688293

IUPACN-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)(CF)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(N)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C29H29F4N3O5/c1-16-3-5-17(6-4-16)24-25-20(28(34,15-40-25)29(31,32)33)12-23(36-24)27(38,13-30)14-35-26(37)18-7-10-21(22(11-18)39-2)41-19-8-9-19/h3-7,10-12,19,38H,8-9,13-15,34H2,1-2H3,(H,35,37)/t27?,28-/m0/s1
InChIKeyRLVZFRIBFJQQCW-CPRJBALCSA-N
MW575.56 g/mol
LogP4.30
Rot. Bonds9

About N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide

N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide (PubChem CID 166688293) has the molecular formula C29H29F4N3O5 and a molecular weight of 575.56 g/mol. Its IUPAC name is N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
PubChem CID166688293
Molecular FormulaC29H29F4N3O5
Molecular Weight575.56 g/mol
Exact Mass575.20
IUPAC NameN-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)(CF)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(N)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C29H29F4N3O5/c1-16-3-5-17(6-4-16)24-25-20(28(34,15-40-25)29(31,32)33)12-23(36-24)27(38,13-30)14-35-26(37)18-7-10-21(22(11-18)39-2)41-19-8-9-19/h3-7,10-12,19,38H,8-9,13-15,34H2,1-2H3,(H,35,37)/t27?,28-/m0/s1
InChIKeyRLVZFRIBFJQQCW-CPRJBALCSA-N
XLogP4.30
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.56
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide with MolForge

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Related Compounds

N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide
CID 166680777
N-[2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 166667153
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide
CID 165436687
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 167023976
N-[(2S)-2-[(3R)-3-azido-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 171406019
4-cyclopropyloxy-N-[2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 167023665
4-cyclopropyloxy-N-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 167023914
[2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate
CID 166667150
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 166688325
(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167665389
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
CID 167024175
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-methoxyquinoline-6-carboxamide
CID 166680706

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide?
The IUPAC name of N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide (CID 166688293) is N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide?
The canonical SMILES for N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide is COc1cc(C(=O)NCC(O)(CF)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(N)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide?
The InChIKey is RLVZFRIBFJQQCW-CPRJBALCSA-N. The full InChI is InChI=1S/C29H29F4N3O5/c1-16-3-5-17(6-4-16)24-25-20(28(34,15-40-25)29(31,32)33)12-23(36-24)27(38,13-30)14-35-26(37)18-7-10-21(22(11-18)39-2)41-19-8-9-19/h3-7,10-12,19,38H,8-9,13-15,34H2,1-2H3,(H,35,37)/t27?,28-/m0/s1.
What are the key properties of N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide?
N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide has a molecular weight of 575.56 g/mol, XLogP of 4.30, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide is sourced from PubChem (CID 166688293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).